SCHEMBL9713609

SCHEMBL9713609

CCCCC(I)COC1=CC(=O)c2cc(Cl)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
S100A4 P26447 3/20 0.33
MAPT P10636 1/20 0.33
CDC25B P30305 2/20 0.33
PTPRC P08575 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.32
CDC25A P30304 1/20 0.32
PTPN1 P18031 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HSP90AA1 P07900 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9641764 0.84 S100A4 (0.34) ALDH1A1MAPK1PSEN1PSEN2APH1B
SCHEMBL9643210 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1S100A4MAPTCDC25B
SCHEMBL9713322 0.82 PTPN1 (0.41) ALDH1A1MAPK1S100A4MAPTCDC25B
SCHEMBL9713336 0.81 PTPN1 (0.40) MAPK1S100A4MAPTPTPN1SOAT1
SCHEMBL9713511 0.79 S100A4 (0.41) S100A4MAPTCDC25BPTPRCL3MBTL1
SCHEMBL9629343 0.79 CDC25B (0.51) S100A4CDC25BPTPRCIDO1CDC25A
SCHEMBL9713515 0.79 CDC25B (0.36) ALDH1A1S100A4CDC25BPTPRCIDO1
SCHEMBL9713605 0.76 S100A4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9714061 0.74 S100A4 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9713781 0.73 S100A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed